(4-aminocarbonyl-2-nitro-phenyl)methyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyric acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C19H16N4O9 MolecularWeight: 444.35174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])COC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])COC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C19H16N4O9/c20-18(25)11-3-4-12(15(8-11)23(29)30)10-31-17(24)2-1-7-21-14-6-5-13(22(27)28)9-16(14)32-19(21)26/h3-6,8-9H,1-2,7,10H2,(H2,20,25)